[1]} screened 40000 oled molecules with tadf character randomly selected from a library of 1.6 million software-generated candidates using an ann combined with bo. Then, the highest-ranking molecules based on eqe predicted by the ann were promoted to tddft simulation. After bo, 400000 molecules were screened in total. Results from the tddft simulation found thousands of emitters predicted to be highly efficient, with about 900 being extremely promising. The top candidates, chosen by humans, were then validated using experimental synthesis. [1]} was able to perform an integrated high-throughput virtual screening method targeting novel tadf oled emitters, which resulted in the discovery of new devices up to 22 eqe, which can be applied to other areas of organic electronics.
